SCHEMBL89853

SCHEMBL89853

COCCCOc1cc(NC2CC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UTS2R Q9UKP6 2/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
HDAC6 Q9UBN7 4/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8265618 0.93 L3MBTL1 (0.42) CYP2C9CYP2C19CYP1A2CYP2D6ALDH1A1
SCHEMBL90434 0.84 ROCK2 (0.38) ALDH1A1HPGDLMNAHTT
SCHEMBL8236634 0.83 ALDH1A1 (0.34) CYP2C9CYP2C19CYP1A2ALDH1A1MAPK1
SCHEMBL8263943 0.81 MAPK1 (0.48) ALDH1A1MAPK1MAPTMEN1POLB
SCHEMBL89390 0.80 IRAK4 (0.38) ALDH1A1HPGDNPC1RAB9A
SCHEMBL89959 0.80 ULK1 (0.44) UTS2R
SCHEMBL89459 0.79 LMNA (0.40) ALDH1A1MAPTL3MBTL1POLBLMNA
SCHEMBL2086320 0.78 KMT2A (0.44) CYP2C19CYP1A2CYP2D6ALDH1A1MAPT
SCHEMBL8265064 0.76 GSTO1 (0.39) L3MBTL1MEN1POLBKMT2AUTS2R
SCHEMBL2087745 0.76 LRRK2 (0.49) MAPK1MAPTHPGDL3MBTL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CYP2C9 211/4885CYP2C19 160/4885CYP1A2 239/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC CYP2C9 238/4885CYP2C19 90/4885CYP1A2 344/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO CYP2C9 280/4885CYP2C19 101/4885CYP1A2 427/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.